4-bromo-3-quinolin-2-yloxyaniline

C15H11BrN2O — CID 103011624

IUPAC4-bromo-3-quinolin-2-yloxyaniline
SMILESNc1ccc(Br)c(Oc2ccc3ccccc3n2)c1
InChIInChI=1S/C15H11BrN2O/c16-12-7-6-11(17)9-14(12)19-15-8-5-10-3-1-2-4-13(10)18-15/h1-9H,17H2
InChIKeyQCVMVXWTMSGHDO-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.37
Rot. Bonds2

About 4-bromo-3-quinolin-2-yloxyaniline

4-bromo-3-quinolin-2-yloxyaniline (PubChem CID 103011624) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 4-bromo-3-quinolin-2-yloxyaniline.

Molecular Properties

Compound Name4-bromo-3-quinolin-2-yloxyaniline
PubChem CID103011624
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name4-bromo-3-quinolin-2-yloxyaniline
SMILESNc1ccc(Br)c(Oc2ccc3ccccc3n2)c1
InChIInChI=1S/C15H11BrN2O/c16-12-7-6-11(17)9-14(12)19-15-8-5-10-3-1-2-4-13(10)18-15/h1-9H,17H2
InChIKeyQCVMVXWTMSGHDO-UHFFFAOYSA-N
XLogP4.37
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-bromo-3-quinolin-2-yloxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromophenoxy)quinolin-6-amine
CID 43451089
4-bromo-3-quinazolin-2-yloxyaniline
CID 103011850
phosphane;2-quinolin-2-yloxyquinoline
CID 166708861
5-fluoro-2-quinolin-2-yloxyaniline
CID 62370174
2-(4-bromo-3-fluorophenoxy)quinoline
CID 65203173
2-(2-ethoxyphenoxy)quinolin-6-amine
CID 43451044
2-(5-bromo-2-fluorophenoxy)quinolin-6-amine
CID 114671712
4-bromo-3-[(5-bromo-4-methyl-2-pyridinyl)oxy]aniline
CID 103011810
4-bromo-3-pyridin-4-yloxyaniline
CID 103011740
acridine;acridine-3,6-diamine
CID 21276006
4-bromo-3-(5-bromopyrimidin-2-yl)oxyaniline
CID 103011509
2-(3,5-dimethoxyphenoxy)quinoline
CID 175975830

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-quinolin-2-yloxyaniline?
The IUPAC name of 4-bromo-3-quinolin-2-yloxyaniline (CID 103011624) is 4-bromo-3-quinolin-2-yloxyaniline.
What is the SMILES notation for 4-bromo-3-quinolin-2-yloxyaniline?
The canonical SMILES for 4-bromo-3-quinolin-2-yloxyaniline is Nc1ccc(Br)c(Oc2ccc3ccccc3n2)c1.
What is the InChIKey of 4-bromo-3-quinolin-2-yloxyaniline?
The InChIKey is QCVMVXWTMSGHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-12-7-6-11(17)9-14(12)19-15-8-5-10-3-1-2-4-13(10)18-15/h1-9H,17H2.
What are the key properties of 4-bromo-3-quinolin-2-yloxyaniline?
4-bromo-3-quinolin-2-yloxyaniline has a molecular weight of 315.17 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-quinolin-2-yloxyaniline is sourced from PubChem (CID 103011624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).